matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1093.mol

Summary

Maintainability
Test Coverage
x1093
     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
   13.7610   -1.3450   23.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3540   -0.9650   23.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0350    1.3330   21.1460 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4970   -1.9030   22.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8620   -0.1550   22.6190 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450   -1.5150   23.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    0.3140   17.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6930    0.8040   23.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900    1.5040   18.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430    0.4010   23.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1030    0.1780   21.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400   -0.9350   20.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4670   -0.3420   19.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780   -0.3650   18.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    0.7840   18.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.8510   19.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3640    1.5280   20.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5140    0.8000   21.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2630    0.4030   20.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  4  1  0
  4  6  1  0
  5  6  1  0
  5  8  1  0
  2 10  1  0
  8 10  1  0
  3 11  2  0
  5 11  1  0
 11 12  1  0
 12 13  1  0
  7 14  1  0
 13 14  2  0
  7 15  1  0
  9 15  2  0
  9 16  1  0
 16 17  2  0
 17 18  1  0
 13 19  1  0
 15 19  1  0
 18 19  2  0
M  END